Oxalic Acid

Oxalic Acid

SCHEMBL5863493

CN(C)CCNC(=O)c1ccccc1-c1ccc(CSCCOc2ccccc2)cc1.O=C(O)C(=O)O

nearest known ligand 0.45

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

OPRM1SLC6A4

The experimentally established mechanism targets of Oxalic Acid. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
SMN1; SMN2 Q16637 4/20 0.43
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
PKM P14618 1/20 0.41
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 3/20 0.41
NPSR1 Q6W5P4 2/20 0.41
NTSR1 P30989 1/20 0.41
HTT P42858 1/20 0.41
NOD2 Q9HC29 1/20 0.41
BCL2L1 Q07817 1/20 0.40
POLB P06746 1/20 0.40
RAD52 P43351 1/20 0.39
ALOX5 P09917 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
Oxalic Acid SCHEMBL5863081 0.94 KDM4E (0.44) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5863052 0.93 KDM4E (0.45) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
Oxalic Acid SCHEMBL5863159 0.87 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA
Hydrochloric Acid SCHEMBL5863297 0.87 KDM4E (0.41) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
Oxalic Acid SCHEMBL5863050 0.87 KCNA5 (0.43) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
Oxalic Acid SCHEMBL5863295 0.83 FYN (0.47) SMN1; SMN2NPC1RAB9ALMNAMAPT
SCHEMBL5863455 0.83 MCHR1 (0.42) KDM4ESMN1; SMN2ALDH1A1HTT
SCHEMBL5864900 0.82 DRD3 (0.42) KDM4ESMN1; SMN2ALDH1A1KMT2AMAPT
Oxalic Acid SCHEMBL5863058 0.81 ROCK2 (0.48) KDM4ESMN1; SMN2ALDH1A1NPC1RAB9A
SCHEMBL5863110 0.81 FYN (0.48) SMN1; SMN2ALDH1A1NPC1RAB9ALMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7132456-B2 MCH receptor antagonists ELI LILLY AND COMPANY (US) 2006-11-07 US disclosed
US-20060052449-A1 Novel mch receptor antagonists ELI LILLY AND COMPANY 2006-03-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060052449-A1 Novel mch receptor antagonists MCHR1, MCHR2, MC1R KDM4E 2532/4885SMN1; SMN2 1571/4885ALDH1A1 1500/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.